3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one

C16H21FN2O — CID 83254488

IUPAC3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCCC1(C)NC(c2cccc(F)c2)N(C2CCC2)C1=O
InChIInChI=1S/C16H21FN2O/c1-3-16(2)15(20)19(13-8-5-9-13)14(18-16)11-6-4-7-12(17)10-11/h4,6-7,10,13-14,18H,3,5,8-9H2,1-2H3
InChIKeyLJNIMMYMLCUVHG-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.98
Rot. Bonds3

About 3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one

3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one (PubChem CID 83254488) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
PubChem CID83254488
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCCC1(C)NC(c2cccc(F)c2)N(C2CCC2)C1=O
InChIInChI=1S/C16H21FN2O/c1-3-16(2)15(20)19(13-8-5-9-13)14(18-16)11-6-4-7-12(17)10-11/h4,6-7,10,13-14,18H,3,5,8-9H2,1-2H3
InChIKeyLJNIMMYMLCUVHG-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclopropylethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83244740
3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83254892
3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83242288
3-cyclohexyl-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83242536
3-cyclohexyl-2-(3-fluorophenyl)imidazolidin-4-one
CID 83243222
3-cyclopentyl-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243192
3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83233386
6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248620
3-cyclobutyl-2-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83249263
5-ethyl-2-(2-fluorophenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one
CID 83267224
5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83263059
3-cyclopropyl-5-ethyl-2,5-dimethylimidazolidin-4-one
CID 83242982

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one (CID 83254488) is 3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one is CCC1(C)NC(c2cccc(F)c2)N(C2CCC2)C1=O.
What is the InChIKey of 3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The InChIKey is LJNIMMYMLCUVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-3-16(2)15(20)19(13-8-5-9-13)14(18-16)11-6-4-7-12(17)10-11/h4,6-7,10,13-14,18H,3,5,8-9H2,1-2H3.
What are the key properties of 3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one has a molecular weight of 276.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83254488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).